Vitas-M small molecule compound
5-(2-methoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980741
SMILES COc1ccccc1C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H22N4O5S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S/c1-34-19-8-3-2-5-16(19)20-21-17(6-4-7-18(21)30)26-23-22(20)24(31)28-25(27-23)35-13-14-9-11-15(12-10-14)29(32)33/h2-3,5,8-12,20H,4,6-7,13H2,1H3,(H2,26,27,28,31)InChIKey
BDFGECNOTCTIAD-UHFFFAOYSA-NSynonyms
5(2methoxyphenyl)2((4nitrobenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(2methoxyphenyl)2((4nitrophenyl)methylsulfanyl)1578910hexahydropyrimido(45b)quinoline46dione
COC1=CC=CC=C1C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=C(C=C5)(N+)(=O)(O)
COc1ccccc1C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H22N4O5Sc13419832516(19)202117(64718(21)30)262322(20)24(31)2825(2723)35131491115(121014)29(32)33h23581220H46713H21H3(H226272831)
MFCD04457281
ZINC000016973126
ZINC000016973132
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